4-(4-tert-butylphenoxy)-2-methoxyaniline

C17H21NO2 — CID 63675564

IUPAC4-(4-tert-butylphenoxy)-2-methoxyaniline
SMILESCOc1cc(Oc2ccc(C(C)(C)C)cc2)ccc1N
InChIInChI=1S/C17H21NO2/c1-17(2,3)12-5-7-13(8-6-12)20-14-9-10-15(18)16(11-14)19-4/h5-11H,18H2,1-4H3
InChIKeyIHCPCDUJBYUVIP-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.37
Rot. Bonds3

About 4-(4-tert-butylphenoxy)-2-methoxyaniline

4-(4-tert-butylphenoxy)-2-methoxyaniline (PubChem CID 63675564) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-2-methoxyaniline.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-2-methoxyaniline
PubChem CID63675564
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-(4-tert-butylphenoxy)-2-methoxyaniline
SMILESCOc1cc(Oc2ccc(C(C)(C)C)cc2)ccc1N
InChIInChI=1S/C17H21NO2/c1-17(2,3)12-5-7-13(8-6-12)20-14-9-10-15(18)16(11-14)19-4/h5-11H,18H2,1-4H3
InChIKeyIHCPCDUJBYUVIP-UHFFFAOYSA-N
XLogP4.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-[1,1-bis[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 66649899
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373
4-[4-[[4-(4-amino-3-methoxyphenoxy)phenyl]methyl]phenoxy]-2-methoxyaniline
CID 139713014
4-(4-ethylphenoxy)-2-methoxyaniline
CID 63678406
4-[4-[1-[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139713080
2,4-bis[4-(2-methylbutan-2-yl)phenoxy]aniline
CID 20504800
4-[4-[1-[4-(4-aminophenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139712997
4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline
CID 63675945
2-(4-tert-butylphenoxy)aniline
CID 26189124
3-(4-amino-3-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566398
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-2-methoxyaniline?
The IUPAC name of 4-(4-tert-butylphenoxy)-2-methoxyaniline (CID 63675564) is 4-(4-tert-butylphenoxy)-2-methoxyaniline.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-2-methoxyaniline?
The canonical SMILES for 4-(4-tert-butylphenoxy)-2-methoxyaniline is COc1cc(Oc2ccc(C(C)(C)C)cc2)ccc1N.
What is the InChIKey of 4-(4-tert-butylphenoxy)-2-methoxyaniline?
The InChIKey is IHCPCDUJBYUVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2,3)12-5-7-13(8-6-12)20-14-9-10-15(18)16(11-14)19-4/h5-11H,18H2,1-4H3.
What are the key properties of 4-(4-tert-butylphenoxy)-2-methoxyaniline?
4-(4-tert-butylphenoxy)-2-methoxyaniline has a molecular weight of 271.36 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-2-methoxyaniline is sourced from PubChem (CID 63675564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).